USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 165:sc=-0.00262 USER MOD Single : A 7 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 110:sc= -0.862 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.483 -1.302 -3.325 1.00 44.45 N ATOM 19 CA LYS A 2 5.828 -0.883 -2.947 1.00 53.52 C ATOM 20 C LYS A 2 6.397 0.102 -3.964 1.00 0.03 C ATOM 21 O LYS A 2 6.141 -0.010 -5.163 1.00 34.25 O ATOM 22 CB LYS A 2 6.749 -2.099 -2.828 1.00 52.13 C ATOM 23 CG LYS A 2 6.183 -3.208 -1.959 1.00 14.14 C ATOM 24 CD LYS A 2 7.229 -3.756 -1.003 1.00 13.04 C ATOM 25 CE LYS A 2 7.001 -5.232 -0.713 1.00 51.25 C ATOM 26 NZ LYS A 2 5.994 -5.437 0.364 1.00 13.11 N ATOM 0 HA LYS A 2 5.768 -0.385 -1.979 1.00 53.52 H new ATOM 0 HB2 LYS A 2 6.945 -2.494 -3.825 1.00 52.13 H new ATOM 0 HB3 LYS A 2 7.707 -1.780 -2.417 1.00 52.13 H new ATOM 0 HG2 LYS A 2 5.333 -2.829 -1.391 1.00 14.14 H new ATOM 0 HG3 LYS A 2 5.810 -4.013 -2.592 1.00 14.14 H new ATOM 0 HD2 LYS A 2 8.222 -3.617 -1.430 1.00 13.04 H new ATOM 0 HD3 LYS A 2 7.202 -3.192 -0.070 1.00 13.04 H new ATOM 0 HE2 LYS A 2 6.668 -5.733 -1.622 1.00 51.25 H new ATOM 0 HE3 LYS A 2 7.944 -5.695 -0.421 1.00 51.25 H new ATOM 0 HZ1 LYS A 2 5.867 -6.456 0.532 1.00 13.11 H new ATOM 0 HZ2 LYS A 2 6.323 -4.981 1.239 1.00 13.11 H new ATOM 0 HZ3 LYS A 2 5.087 -5.018 0.075 1.00 13.11 H new ATOM 40 N VAL A 3 7.172 1.066 -3.477 1.00 41.21 N ATOM 41 CA VAL A 3 7.780 2.069 -4.344 1.00 31.13 C ATOM 42 C VAL A 3 9.275 2.196 -4.072 1.00 53.43 C ATOM 43 O VAL A 3 9.713 2.156 -2.922 1.00 41.54 O ATOM 44 CB VAL A 3 7.116 3.447 -4.159 1.00 65.42 C ATOM 45 CG1 VAL A 3 7.438 4.356 -5.335 1.00 51.04 C ATOM 46 CG2 VAL A 3 5.613 3.295 -3.988 1.00 34.43 C ATOM 0 H VAL A 3 7.394 1.174 -2.487 1.00 41.21 H new ATOM 0 HA VAL A 3 7.628 1.736 -5.371 1.00 31.13 H new ATOM 0 HB VAL A 3 7.516 3.906 -3.255 1.00 65.42 H new ATOM 0 HG11 VAL A 3 6.961 5.325 -5.187 1.00 51.04 H new ATOM 0 HG12 VAL A 3 8.517 4.490 -5.406 1.00 51.04 H new ATOM 0 HG13 VAL A 3 7.067 3.905 -6.255 1.00 51.04 H new ATOM 0 HG21 VAL A 3 5.160 4.278 -3.859 1.00 34.43 H new ATOM 0 HG22 VAL A 3 5.193 2.816 -4.872 1.00 34.43 H new ATOM 0 HG23 VAL A 3 5.407 2.682 -3.110 1.00 34.43 H new ATOM 56 N TYR A 4 10.053 2.350 -5.138 1.00 14.41 N ATOM 57 CA TYR A 4 11.500 2.482 -5.015 1.00 55.12 C ATOM 58 C TYR A 4 11.988 3.766 -5.679 1.00 11.25 C ATOM 59 O TYR A 4 11.821 3.959 -6.883 1.00 11.31 O ATOM 60 CB TYR A 4 12.198 1.274 -5.642 1.00 34.11 C ATOM 61 CG TYR A 4 13.348 1.643 -6.551 1.00 1.34 C ATOM 62 CD1 TYR A 4 14.586 1.997 -6.028 1.00 61.14 C ATOM 63 CD2 TYR A 4 13.197 1.638 -7.932 1.00 23.20 C ATOM 64 CE1 TYR A 4 15.640 2.336 -6.855 1.00 74.11 C ATOM 65 CE2 TYR A 4 14.246 1.974 -8.766 1.00 72.04 C ATOM 66 CZ TYR A 4 15.465 2.323 -8.223 1.00 73.32 C ATOM 67 OH TYR A 4 16.512 2.658 -9.050 1.00 42.40 O ATOM 0 H TYR A 4 9.706 2.386 -6.096 1.00 14.41 H new ATOM 0 HA TYR A 4 11.747 2.526 -3.954 1.00 55.12 H new ATOM 0 HB2 TYR A 4 12.568 0.626 -4.847 1.00 34.11 H new ATOM 0 HB3 TYR A 4 11.468 0.697 -6.210 1.00 34.11 H new ATOM 0 HD1 TYR A 4 14.727 2.007 -4.957 1.00 61.14 H new ATOM 0 HD2 TYR A 4 12.244 1.367 -8.361 1.00 23.20 H new ATOM 0 HE1 TYR A 4 16.595 2.610 -6.432 1.00 74.11 H new ATOM 0 HE2 TYR A 4 14.112 1.963 -9.838 1.00 72.04 H new ATOM 0 HH TYR A 4 16.310 2.373 -9.966 1.00 42.40 H new ATOM 77 N VAL A 5 12.593 4.642 -4.883 1.00 4.31 N ATOM 78 CA VAL A 5 13.109 5.908 -5.391 1.00 75.02 C ATOM 79 C VAL A 5 14.565 6.111 -4.987 1.00 74.55 C ATOM 80 O VAL A 5 14.861 6.441 -3.840 1.00 44.33 O ATOM 81 CB VAL A 5 12.275 7.099 -4.881 1.00 23.42 C ATOM 82 CG1 VAL A 5 10.944 7.171 -5.612 1.00 54.33 C ATOM 83 CG2 VAL A 5 12.063 6.994 -3.378 1.00 54.21 C ATOM 0 H VAL A 5 12.738 4.498 -3.884 1.00 4.31 H new ATOM 0 HA VAL A 5 13.040 5.864 -6.478 1.00 75.02 H new ATOM 0 HB VAL A 5 12.823 8.019 -5.085 1.00 23.42 H new ATOM 0 HG11 VAL A 5 10.369 8.018 -5.238 1.00 54.33 H new ATOM 0 HG12 VAL A 5 11.122 7.296 -6.680 1.00 54.33 H new ATOM 0 HG13 VAL A 5 10.386 6.250 -5.442 1.00 54.33 H new ATOM 0 HG21 VAL A 5 11.472 7.843 -3.034 1.00 54.21 H new ATOM 0 HG22 VAL A 5 11.536 6.068 -3.149 1.00 54.21 H new ATOM 0 HG23 VAL A 5 13.029 6.996 -2.873 1.00 54.21 H new ATOM 93 N GLY A 6 15.471 5.910 -5.940 1.00 33.12 N ATOM 94 CA GLY A 6 16.886 6.075 -5.664 1.00 52.50 C ATOM 95 C GLY A 6 17.517 7.165 -6.508 1.00 63.30 C ATOM 96 O GLY A 6 16.834 8.081 -6.962 1.00 44.54 O ATOM 0 H GLY A 6 15.250 5.636 -6.897 1.00 33.12 H new ATOM 0 HA2 GLY A 6 17.022 6.312 -4.609 1.00 52.50 H new ATOM 0 HA3 GLY A 6 17.402 5.132 -5.848 1.00 52.50 H new ATOM 100 N ASN A 7 18.826 7.065 -6.717 1.00 1.30 N ATOM 101 CA ASN A 7 19.551 8.052 -7.510 1.00 74.43 C ATOM 102 C ASN A 7 19.477 9.431 -6.862 1.00 62.15 C ATOM 103 O ASN A 7 18.892 10.361 -7.420 1.00 65.31 O ATOM 104 CB ASN A 7 18.983 8.112 -8.930 1.00 33.32 C ATOM 105 CG ASN A 7 19.663 7.132 -9.867 1.00 0.15 C ATOM 106 OD1 ASN A 7 20.312 7.530 -10.834 1.00 22.00 O ATOM 107 ND2 ASN A 7 19.517 5.843 -9.583 1.00 14.24 N ATOM 0 H ASN A 7 19.406 6.311 -6.349 1.00 1.30 H new ATOM 0 HA ASN A 7 20.597 7.748 -7.556 1.00 74.43 H new ATOM 0 HB2 ASN A 7 17.914 7.900 -8.900 1.00 33.32 H new ATOM 0 HB3 ASN A 7 19.096 9.123 -9.321 1.00 33.32 H new ATOM 0 HD21 ASN A 7 19.952 5.137 -10.177 1.00 14.24 H new ATOM 0 HD22 ASN A 7 18.970 5.559 -8.771 1.00 14.24 H new ATOM 114 N LEU A 8 20.075 9.557 -5.683 1.00 34.34 N ATOM 115 CA LEU A 8 20.078 10.823 -4.958 1.00 62.10 C ATOM 116 C LEU A 8 21.396 11.564 -5.163 1.00 74.11 C ATOM 117 O LEU A 8 22.072 11.926 -4.202 1.00 1.15 O ATOM 118 CB LEU A 8 19.843 10.580 -3.466 1.00 65.11 C ATOM 119 CG LEU A 8 18.770 9.549 -3.115 1.00 1.13 C ATOM 120 CD1 LEU A 8 18.722 9.320 -1.612 1.00 73.00 C ATOM 121 CD2 LEU A 8 17.411 9.997 -3.632 1.00 12.23 C ATOM 0 H LEU A 8 20.564 8.798 -5.208 1.00 34.34 H new ATOM 0 HA LEU A 8 19.270 11.440 -5.351 1.00 62.10 H new ATOM 0 HB2 LEU A 8 20.784 10.262 -3.017 1.00 65.11 H new ATOM 0 HB3 LEU A 8 19.573 11.529 -3.002 1.00 65.11 H new ATOM 0 HG LEU A 8 19.027 8.606 -3.598 1.00 1.13 H new ATOM 0 HD11 LEU A 8 17.953 8.583 -1.381 1.00 73.00 H new ATOM 0 HD12 LEU A 8 19.690 8.954 -1.269 1.00 73.00 H new ATOM 0 HD13 LEU A 8 18.489 10.258 -1.108 1.00 73.00 H new ATOM 0 HD21 LEU A 8 16.659 9.251 -3.373 1.00 12.23 H new ATOM 0 HD22 LEU A 8 17.146 10.952 -3.178 1.00 12.23 H new ATOM 0 HD23 LEU A 8 17.453 10.109 -4.715 1.00 12.23 H new ATOM 161 N ALA A 12 18.252 15.688 -4.324 1.00 3.25 N ATOM 162 CA ALA A 12 16.904 15.187 -4.089 1.00 13.42 C ATOM 163 C ALA A 12 16.918 13.997 -3.135 1.00 43.25 C ATOM 164 O ALA A 12 17.293 12.889 -3.516 1.00 45.11 O ATOM 165 CB ALA A 12 16.247 14.803 -5.406 1.00 72.22 C ATOM 0 HA ALA A 12 16.323 15.984 -3.624 1.00 13.42 H new ATOM 0 HB1 ALA A 12 15.241 14.430 -5.215 1.00 72.22 H new ATOM 0 HB2 ALA A 12 16.193 15.677 -6.054 1.00 72.22 H new ATOM 0 HB3 ALA A 12 16.836 14.026 -5.893 1.00 72.22 H new ATOM 171 N GLY A 13 16.508 14.235 -1.893 1.00 72.42 N ATOM 172 CA GLY A 13 16.483 13.173 -0.905 1.00 34.44 C ATOM 173 C GLY A 13 15.099 12.952 -0.325 1.00 42.44 C ATOM 174 O GLY A 13 14.125 12.802 -1.063 1.00 42.04 O ATOM 0 H GLY A 13 16.193 15.144 -1.554 1.00 72.42 H new ATOM 0 HA2 GLY A 13 16.834 12.248 -1.362 1.00 34.44 H new ATOM 0 HA3 GLY A 13 17.177 13.414 -0.100 1.00 34.44 H new ATOM 178 N LYS A 14 15.011 12.931 1.000 1.00 0.42 N ATOM 179 CA LYS A 14 13.737 12.727 1.680 1.00 41.44 C ATOM 180 C LYS A 14 12.787 13.891 1.415 1.00 0.03 C ATOM 181 O LYS A 14 11.615 13.689 1.101 1.00 70.11 O ATOM 182 CB LYS A 14 13.959 12.568 3.185 1.00 34.15 C ATOM 183 CG LYS A 14 14.766 13.696 3.804 1.00 14.14 C ATOM 184 CD LYS A 14 13.869 14.706 4.501 1.00 40.13 C ATOM 185 CE LYS A 14 14.428 16.117 4.390 1.00 33.55 C ATOM 186 NZ LYS A 14 15.267 16.474 5.567 1.00 1.23 N ATOM 0 H LYS A 14 15.807 13.053 1.625 1.00 0.42 H new ATOM 0 HA LYS A 14 13.285 11.816 1.288 1.00 41.44 H new ATOM 0 HB2 LYS A 14 12.991 12.510 3.682 1.00 34.15 H new ATOM 0 HB3 LYS A 14 14.470 11.623 3.370 1.00 34.15 H new ATOM 0 HG2 LYS A 14 15.478 13.285 4.520 1.00 14.14 H new ATOM 0 HG3 LYS A 14 15.346 14.197 3.029 1.00 14.14 H new ATOM 0 HD2 LYS A 14 12.872 14.673 4.062 1.00 40.13 H new ATOM 0 HD3 LYS A 14 13.764 14.437 5.552 1.00 40.13 H new ATOM 0 HE2 LYS A 14 15.023 16.202 3.481 1.00 33.55 H new ATOM 0 HE3 LYS A 14 13.606 16.827 4.301 1.00 33.55 H new ATOM 0 HZ1 LYS A 14 15.629 17.442 5.454 1.00 1.23 H new ATOM 0 HZ2 LYS A 14 14.693 16.418 6.432 1.00 1.23 H new ATOM 0 HZ3 LYS A 14 16.066 15.812 5.638 1.00 1.23 H new ATOM 200 N GLY A 15 13.302 15.110 1.544 1.00 55.43 N ATOM 201 CA GLY A 15 12.485 16.288 1.314 1.00 62.03 C ATOM 202 C GLY A 15 11.970 16.367 -0.110 1.00 3.52 C ATOM 203 O GLY A 15 10.796 16.657 -0.336 1.00 11.11 O ATOM 0 H GLY A 15 14.269 15.303 1.803 1.00 55.43 H new ATOM 0 HA2 GLY A 15 11.640 16.281 2.003 1.00 62.03 H new ATOM 0 HA3 GLY A 15 13.070 17.181 1.536 1.00 62.03 H new ATOM 207 N GLU A 16 12.852 16.111 -1.072 1.00 15.25 N ATOM 208 CA GLU A 16 12.479 16.158 -2.480 1.00 52.15 C ATOM 209 C GLU A 16 11.407 15.118 -2.795 1.00 10.34 C ATOM 210 O GLU A 16 10.329 15.451 -3.289 1.00 32.04 O ATOM 211 CB GLU A 16 13.706 15.924 -3.364 1.00 2.23 C ATOM 212 CG GLU A 16 14.024 17.090 -4.286 1.00 34.54 C ATOM 213 CD GLU A 16 14.935 18.114 -3.638 1.00 54.31 C ATOM 214 OE1 GLU A 16 15.253 17.954 -2.441 1.00 60.14 O ATOM 215 OE2 GLU A 16 15.329 19.077 -4.329 1.00 41.10 O ATOM 0 H GLU A 16 13.828 15.869 -0.901 1.00 15.25 H new ATOM 0 HA GLU A 16 12.073 17.148 -2.688 1.00 52.15 H new ATOM 0 HB2 GLU A 16 14.569 15.729 -2.728 1.00 2.23 H new ATOM 0 HB3 GLU A 16 13.545 15.030 -3.966 1.00 2.23 H new ATOM 0 HG2 GLU A 16 14.495 16.713 -5.194 1.00 34.54 H new ATOM 0 HG3 GLU A 16 13.095 17.574 -4.587 1.00 34.54 H new ATOM 222 N LEU A 17 11.711 13.858 -2.505 1.00 62.13 N ATOM 223 CA LEU A 17 10.775 12.768 -2.757 1.00 20.22 C ATOM 224 C LEU A 17 9.490 12.959 -1.958 1.00 74.23 C ATOM 225 O LEU A 17 8.421 12.505 -2.367 1.00 23.14 O ATOM 226 CB LEU A 17 11.416 11.426 -2.399 1.00 64.23 C ATOM 227 CG LEU A 17 11.024 10.834 -1.045 1.00 42.10 C ATOM 228 CD1 LEU A 17 9.752 10.011 -1.171 1.00 34.05 C ATOM 229 CD2 LEU A 17 12.157 9.986 -0.485 1.00 40.14 C ATOM 0 H LEU A 17 12.598 13.566 -2.095 1.00 62.13 H new ATOM 0 HA LEU A 17 10.526 12.773 -3.818 1.00 20.22 H new ATOM 0 HB2 LEU A 17 11.160 10.705 -3.176 1.00 64.23 H new ATOM 0 HB3 LEU A 17 12.499 11.546 -2.420 1.00 64.23 H new ATOM 0 HG LEU A 17 10.835 11.654 -0.353 1.00 42.10 H new ATOM 0 HD11 LEU A 17 9.488 9.597 -0.198 1.00 34.05 H new ATOM 0 HD12 LEU A 17 8.941 10.647 -1.527 1.00 34.05 H new ATOM 0 HD13 LEU A 17 9.913 9.198 -1.879 1.00 34.05 H new ATOM 0 HD21 LEU A 17 11.860 9.573 0.479 1.00 40.14 H new ATOM 0 HD22 LEU A 17 12.378 9.172 -1.176 1.00 40.14 H new ATOM 0 HD23 LEU A 17 13.045 10.605 -0.357 1.00 40.14 H new ATOM 241 N GLU A 18 9.601 13.635 -0.819 1.00 44.23 N ATOM 242 CA GLU A 18 8.447 13.887 0.035 1.00 10.22 C ATOM 243 C GLU A 18 7.479 14.860 -0.631 1.00 74.05 C ATOM 244 O GLU A 18 6.276 14.607 -0.698 1.00 74.12 O ATOM 245 CB GLU A 18 8.897 14.445 1.387 1.00 22.31 C ATOM 246 CG GLU A 18 7.751 14.935 2.256 1.00 51.14 C ATOM 247 CD GLU A 18 7.505 16.424 2.111 1.00 51.32 C ATOM 248 OE1 GLU A 18 8.492 17.186 2.043 1.00 24.51 O ATOM 249 OE2 GLU A 18 6.324 16.828 2.065 1.00 51.21 O ATOM 0 H GLU A 18 10.478 14.018 -0.467 1.00 44.23 H new ATOM 0 HA GLU A 18 7.932 12.940 0.194 1.00 10.22 H new ATOM 0 HB2 GLU A 18 9.445 13.672 1.925 1.00 22.31 H new ATOM 0 HB3 GLU A 18 9.591 15.268 1.218 1.00 22.31 H new ATOM 0 HG2 GLU A 18 6.843 14.393 1.993 1.00 51.14 H new ATOM 0 HG3 GLU A 18 7.967 14.706 3.299 1.00 51.14 H new ATOM 256 N ARG A 19 8.012 15.974 -1.123 1.00 23.52 N ATOM 257 CA ARG A 19 7.196 16.985 -1.783 1.00 1.44 C ATOM 258 C ARG A 19 6.567 16.430 -3.057 1.00 51.30 C ATOM 259 O ARG A 19 5.412 16.719 -3.368 1.00 13.44 O ATOM 260 CB ARG A 19 8.041 18.217 -2.113 1.00 2.11 C ATOM 261 CG ARG A 19 7.329 19.224 -3.002 1.00 22.32 C ATOM 262 CD ARG A 19 7.671 20.653 -2.610 1.00 21.31 C ATOM 263 NE ARG A 19 8.979 21.061 -3.116 1.00 54.23 N ATOM 264 CZ ARG A 19 9.559 22.215 -2.807 1.00 12.35 C ATOM 265 NH1 ARG A 19 8.951 23.070 -1.996 1.00 54.42 N ATOM 266 NH2 ARG A 19 10.750 22.516 -3.307 1.00 63.33 N ATOM 0 H ARG A 19 9.006 16.199 -1.077 1.00 23.52 H new ATOM 0 HA ARG A 19 6.397 17.273 -1.100 1.00 1.44 H new ATOM 0 HB2 ARG A 19 8.332 18.707 -1.184 1.00 2.11 H new ATOM 0 HB3 ARG A 19 8.959 17.896 -2.605 1.00 2.11 H new ATOM 0 HG2 ARG A 19 7.608 19.054 -4.042 1.00 22.32 H new ATOM 0 HG3 ARG A 19 6.252 19.074 -2.933 1.00 22.32 H new ATOM 0 HD2 ARG A 19 6.907 21.328 -2.996 1.00 21.31 H new ATOM 0 HD3 ARG A 19 7.658 20.744 -1.524 1.00 21.31 H new ATOM 0 HE ARG A 19 9.474 20.425 -3.741 1.00 54.23 H new ATOM 0 HH11 ARG A 19 8.036 22.842 -1.608 1.00 54.42 H new ATOM 0 HH12 ARG A 19 9.399 23.956 -1.760 1.00 54.42 H new ATOM 0 HH21 ARG A 19 11.222 21.861 -3.930 1.00 63.33 H new ATOM 0 HH22 ARG A 19 11.194 23.403 -3.069 1.00 63.33 H new ATOM 280 N ALA A 20 7.335 15.632 -3.791 1.00 43.31 N ATOM 281 CA ALA A 20 6.853 15.036 -5.030 1.00 60.35 C ATOM 282 C ALA A 20 5.734 14.035 -4.759 1.00 44.43 C ATOM 283 O ALA A 20 4.597 14.230 -5.188 1.00 33.12 O ATOM 284 CB ALA A 20 7.998 14.362 -5.772 1.00 72.13 C ATOM 0 H ALA A 20 8.294 15.383 -3.549 1.00 43.31 H new ATOM 0 HA ALA A 20 6.449 15.833 -5.654 1.00 60.35 H new ATOM 0 HB1 ALA A 20 7.623 13.921 -6.696 1.00 72.13 H new ATOM 0 HB2 ALA A 20 8.764 15.101 -6.007 1.00 72.13 H new ATOM 0 HB3 ALA A 20 8.428 13.581 -5.145 1.00 72.13 H new ATOM 290 N PHE A 21 6.065 12.964 -4.046 1.00 0.11 N ATOM 291 CA PHE A 21 5.088 11.932 -3.719 1.00 62.10 C ATOM 292 C PHE A 21 3.835 12.545 -3.102 1.00 13.33 C ATOM 293 O PHE A 21 2.714 12.210 -3.483 1.00 73.55 O ATOM 294 CB PHE A 21 5.697 10.910 -2.756 1.00 51.24 C ATOM 295 CG PHE A 21 6.387 9.770 -3.450 1.00 15.24 C ATOM 296 CD1 PHE A 21 7.641 9.941 -4.012 1.00 41.33 C ATOM 297 CD2 PHE A 21 5.781 8.527 -3.538 1.00 54.32 C ATOM 298 CE1 PHE A 21 8.277 8.894 -4.651 1.00 45.15 C ATOM 299 CE2 PHE A 21 6.412 7.476 -4.176 1.00 3.22 C ATOM 300 CZ PHE A 21 7.663 7.660 -4.732 1.00 71.33 C ATOM 0 H PHE A 21 7.002 12.788 -3.684 1.00 0.11 H new ATOM 0 HA PHE A 21 4.807 11.427 -4.643 1.00 62.10 H new ATOM 0 HB2 PHE A 21 6.412 11.416 -2.106 1.00 51.24 H new ATOM 0 HB3 PHE A 21 4.910 10.512 -2.115 1.00 51.24 H new ATOM 0 HD1 PHE A 21 8.127 10.903 -3.950 1.00 41.33 H new ATOM 0 HD2 PHE A 21 4.804 8.378 -3.103 1.00 54.32 H new ATOM 0 HE1 PHE A 21 9.254 9.041 -5.087 1.00 45.15 H new ATOM 0 HE2 PHE A 21 5.928 6.513 -4.240 1.00 3.22 H new ATOM 0 HZ PHE A 21 8.160 6.840 -5.229 1.00 71.33 H new ATOM 310 N SER A 22 4.034 13.446 -2.145 1.00 33.03 N ATOM 311 CA SER A 22 2.920 14.104 -1.471 1.00 25.45 C ATOM 312 C SER A 22 2.086 14.911 -2.461 1.00 21.34 C ATOM 313 O SER A 22 0.856 14.883 -2.420 1.00 72.44 O ATOM 314 CB SER A 22 3.438 15.018 -0.358 1.00 63.24 C ATOM 315 OG SER A 22 2.368 15.646 0.325 1.00 12.22 O ATOM 0 H SER A 22 4.956 13.737 -1.819 1.00 33.03 H new ATOM 0 HA SER A 22 2.286 13.333 -1.033 1.00 25.45 H new ATOM 0 HB2 SER A 22 4.032 14.437 0.347 1.00 63.24 H new ATOM 0 HB3 SER A 22 4.097 15.775 -0.782 1.00 63.24 H new ATOM 0 HG SER A 22 2.725 16.223 1.032 1.00 12.22 H new ATOM 321 N TYR A 23 2.764 15.629 -3.348 1.00 45.13 N ATOM 322 CA TYR A 23 2.087 16.447 -4.348 1.00 23.42 C ATOM 323 C TYR A 23 1.151 15.598 -5.202 1.00 71.33 C ATOM 324 O TYR A 23 0.027 16.002 -5.502 1.00 3.51 O ATOM 325 CB TYR A 23 3.111 17.151 -5.239 1.00 40.34 C ATOM 326 CG TYR A 23 3.393 18.578 -4.826 1.00 41.24 C ATOM 327 CD1 TYR A 23 3.534 18.920 -3.487 1.00 64.22 C ATOM 328 CD2 TYR A 23 3.519 19.585 -5.776 1.00 63.21 C ATOM 329 CE1 TYR A 23 3.791 20.222 -3.106 1.00 4.35 C ATOM 330 CE2 TYR A 23 3.778 20.890 -5.404 1.00 32.24 C ATOM 331 CZ TYR A 23 3.912 21.204 -4.067 1.00 64.43 C ATOM 332 OH TYR A 23 4.170 22.502 -3.691 1.00 52.12 O ATOM 0 H TYR A 23 3.782 15.662 -3.396 1.00 45.13 H new ATOM 0 HA TYR A 23 1.493 17.197 -3.826 1.00 23.42 H new ATOM 0 HB2 TYR A 23 4.043 16.586 -5.223 1.00 40.34 H new ATOM 0 HB3 TYR A 23 2.751 17.144 -6.268 1.00 40.34 H new ATOM 0 HD1 TYR A 23 3.441 18.154 -2.731 1.00 64.22 H new ATOM 0 HD2 TYR A 23 3.413 19.343 -6.823 1.00 63.21 H new ATOM 0 HE1 TYR A 23 3.897 20.470 -2.060 1.00 4.35 H new ATOM 0 HE2 TYR A 23 3.875 21.660 -6.155 1.00 32.24 H new ATOM 0 HH TYR A 23 4.227 23.069 -4.489 1.00 52.12 H new ATOM 342 N TYR A 24 1.622 14.418 -5.591 1.00 11.12 N ATOM 343 CA TYR A 24 0.829 13.511 -6.412 1.00 51.33 C ATOM 344 C TYR A 24 -0.300 12.886 -5.599 1.00 31.31 C ATOM 345 O TYR A 24 -1.402 12.675 -6.104 1.00 42.22 O ATOM 346 CB TYR A 24 1.717 12.414 -7.001 1.00 22.12 C ATOM 347 CG TYR A 24 2.424 12.824 -8.273 1.00 53.11 C ATOM 348 CD1 TYR A 24 3.436 13.776 -8.253 1.00 14.31 C ATOM 349 CD2 TYR A 24 2.079 12.260 -9.495 1.00 41.53 C ATOM 350 CE1 TYR A 24 4.084 14.155 -9.413 1.00 35.32 C ATOM 351 CE2 TYR A 24 2.723 12.632 -10.660 1.00 34.21 C ATOM 352 CZ TYR A 24 3.724 13.579 -10.614 1.00 12.34 C ATOM 353 OH TYR A 24 4.366 13.953 -11.772 1.00 22.12 O ATOM 0 H TYR A 24 2.549 14.067 -5.351 1.00 11.12 H new ATOM 0 HA TYR A 24 0.389 14.089 -7.225 1.00 51.33 H new ATOM 0 HB2 TYR A 24 2.461 12.124 -6.259 1.00 22.12 H new ATOM 0 HB3 TYR A 24 1.107 11.533 -7.202 1.00 22.12 H new ATOM 0 HD1 TYR A 24 3.721 14.228 -7.314 1.00 14.31 H new ATOM 0 HD2 TYR A 24 1.295 11.519 -9.535 1.00 41.53 H new ATOM 0 HE1 TYR A 24 4.868 14.898 -9.380 1.00 35.32 H new ATOM 0 HE2 TYR A 24 2.443 12.183 -11.602 1.00 34.21 H new ATOM 0 HH TYR A 24 3.994 13.453 -12.528 1.00 22.12 H new ATOM 363 N GLY A 25 -0.016 12.591 -4.334 1.00 14.13 N ATOM 364 CA GLY A 25 -1.017 11.993 -3.469 1.00 43.10 C ATOM 365 C GLY A 25 -0.431 11.493 -2.163 1.00 43.54 C ATOM 366 O GLY A 25 0.771 11.251 -2.050 1.00 42.41 O ATOM 0 H GLY A 25 0.889 12.755 -3.893 1.00 14.13 H new ATOM 0 HA2 GLY A 25 -1.795 12.727 -3.257 1.00 43.10 H new ATOM 0 HA3 GLY A 25 -1.495 11.164 -3.990 1.00 43.10 H new ATOM 370 N PRO A 26 -1.291 11.334 -1.147 1.00 20.41 N ATOM 371 CA PRO A 26 -0.874 10.859 0.176 1.00 1.40 C ATOM 372 C PRO A 26 -0.464 9.391 0.163 1.00 75.42 C ATOM 373 O PRO A 26 -1.297 8.505 -0.040 1.00 44.34 O ATOM 374 CB PRO A 26 -2.125 11.058 1.035 1.00 73.02 C ATOM 375 CG PRO A 26 -3.259 11.011 0.069 1.00 22.22 C ATOM 376 CD PRO A 26 -2.737 11.603 -1.211 1.00 12.02 C ATOM 0 HA PRO A 26 0.002 11.394 0.544 1.00 1.40 H new ATOM 0 HB2 PRO A 26 -2.215 10.277 1.790 1.00 73.02 H new ATOM 0 HB3 PRO A 26 -2.095 12.011 1.564 1.00 73.02 H new ATOM 0 HG2 PRO A 26 -3.599 9.987 -0.085 1.00 22.22 H new ATOM 0 HG3 PRO A 26 -4.113 11.577 0.441 1.00 22.22 H new ATOM 0 HD2 PRO A 26 -3.194 11.138 -2.084 1.00 12.02 H new ATOM 0 HD3 PRO A 26 -2.945 12.671 -1.274 1.00 12.02 H new ATOM 384 N LEU A 27 0.821 9.138 0.381 1.00 63.33 N ATOM 385 CA LEU A 27 1.341 7.775 0.394 1.00 24.25 C ATOM 386 C LEU A 27 1.213 7.157 1.783 1.00 1.02 C ATOM 387 O LEU A 27 0.705 7.788 2.710 1.00 53.43 O ATOM 388 CB LEU A 27 2.805 7.762 -0.049 1.00 5.24 C ATOM 389 CG LEU A 27 3.671 8.915 0.461 1.00 51.31 C ATOM 390 CD1 LEU A 27 3.619 8.991 1.979 1.00 41.41 C ATOM 391 CD2 LEU A 27 5.106 8.757 -0.018 1.00 65.24 C ATOM 0 H LEU A 27 1.523 9.859 0.551 1.00 63.33 H new ATOM 0 HA LEU A 27 0.751 7.181 -0.304 1.00 24.25 H new ATOM 0 HB2 LEU A 27 3.254 6.824 0.278 1.00 5.24 H new ATOM 0 HB3 LEU A 27 2.834 7.767 -1.139 1.00 5.24 H new ATOM 0 HG LEU A 27 3.275 9.847 0.057 1.00 51.31 H new ATOM 0 HD11 LEU A 27 4.241 9.817 2.323 1.00 41.41 H new ATOM 0 HD12 LEU A 27 2.590 9.153 2.300 1.00 41.41 H new ATOM 0 HD13 LEU A 27 3.989 8.057 2.403 1.00 41.41 H new ATOM 0 HD21 LEU A 27 5.707 9.586 0.354 1.00 65.24 H new ATOM 0 HD22 LEU A 27 5.513 7.817 0.356 1.00 65.24 H new ATOM 0 HD23 LEU A 27 5.128 8.754 -1.108 1.00 65.24 H new ATOM 403 N ARG A 28 1.679 5.920 1.920 1.00 3.12 N ATOM 404 CA ARG A 28 1.618 5.217 3.196 1.00 14.31 C ATOM 405 C ARG A 28 2.744 5.669 4.121 1.00 43.13 C ATOM 406 O ARG A 28 2.507 6.050 5.268 1.00 72.15 O ATOM 407 CB ARG A 28 1.700 3.706 2.975 1.00 64.14 C ATOM 408 CG ARG A 28 0.515 2.941 3.542 1.00 44.51 C ATOM 409 CD ARG A 28 0.798 2.441 4.950 1.00 54.31 C ATOM 410 NE ARG A 28 -0.430 2.128 5.676 1.00 14.50 N ATOM 411 CZ ARG A 28 -1.111 0.999 5.517 1.00 61.14 C ATOM 412 NH1 ARG A 28 -0.685 0.079 4.662 1.00 50.54 N ATOM 413 NH2 ARG A 28 -2.220 0.787 6.214 1.00 62.01 N ATOM 0 H ARG A 28 2.103 5.384 1.163 1.00 3.12 H new ATOM 0 HA ARG A 28 0.665 5.457 3.668 1.00 14.31 H new ATOM 0 HB2 ARG A 28 1.772 3.507 1.906 1.00 64.14 H new ATOM 0 HB3 ARG A 28 2.616 3.330 3.431 1.00 64.14 H new ATOM 0 HG2 ARG A 28 -0.364 3.585 3.553 1.00 44.51 H new ATOM 0 HG3 ARG A 28 0.282 2.096 2.894 1.00 44.51 H new ATOM 0 HD2 ARG A 28 1.426 1.552 4.900 1.00 54.31 H new ATOM 0 HD3 ARG A 28 1.360 3.198 5.497 1.00 54.31 H new ATOM 0 HE ARG A 28 -0.784 2.815 6.342 1.00 14.50 H new ATOM 0 HH11 ARG A 28 0.167 0.238 4.125 1.00 50.54 H new ATOM 0 HH12 ARG A 28 -1.210 -0.787 4.542 1.00 50.54 H new ATOM 0 HH21 ARG A 28 -2.551 1.492 6.873 1.00 62.01 H new ATOM 0 HH22 ARG A 28 -2.742 -0.081 6.091 1.00 62.01 H new ATOM 427 N THR A 29 3.973 5.624 3.614 1.00 32.13 N ATOM 428 CA THR A 29 5.136 6.026 4.394 1.00 3.51 C ATOM 429 C THR A 29 6.354 6.231 3.500 1.00 54.13 C ATOM 430 O THR A 29 6.367 5.804 2.345 1.00 22.12 O ATOM 431 CB THR A 29 5.477 4.983 5.475 1.00 72.24 C ATOM 432 OG1 THR A 29 4.994 3.694 5.080 1.00 32.22 O ATOM 433 CG2 THR A 29 4.867 5.371 6.813 1.00 32.21 C ATOM 0 H THR A 29 4.188 5.313 2.667 1.00 32.13 H new ATOM 0 HA THR A 29 4.880 6.969 4.878 1.00 3.51 H new ATOM 0 HB THR A 29 6.561 4.947 5.585 1.00 72.24 H new ATOM 0 HG1 THR A 29 5.216 3.036 5.771 1.00 32.22 H new ATOM 0 HG21 THR A 29 5.121 4.620 7.560 1.00 32.21 H new ATOM 0 HG22 THR A 29 5.259 6.339 7.124 1.00 32.21 H new ATOM 0 HG23 THR A 29 3.783 5.432 6.715 1.00 32.21 H new ATOM 441 N VAL A 30 7.376 6.887 4.040 1.00 32.23 N ATOM 442 CA VAL A 30 8.599 7.146 3.291 1.00 5.52 C ATOM 443 C VAL A 30 9.832 6.749 4.096 1.00 35.23 C ATOM 444 O VAL A 30 9.855 6.880 5.320 1.00 13.41 O ATOM 445 CB VAL A 30 8.713 8.632 2.899 1.00 22.34 C ATOM 446 CG1 VAL A 30 10.017 8.891 2.161 1.00 65.11 C ATOM 447 CG2 VAL A 30 7.520 9.052 2.055 1.00 50.32 C ATOM 0 H VAL A 30 7.381 7.249 4.994 1.00 32.23 H new ATOM 0 HA VAL A 30 8.549 6.541 2.386 1.00 5.52 H new ATOM 0 HB VAL A 30 8.714 9.232 3.809 1.00 22.34 H new ATOM 0 HG11 VAL A 30 10.080 9.945 1.892 1.00 65.11 H new ATOM 0 HG12 VAL A 30 10.857 8.630 2.804 1.00 65.11 H new ATOM 0 HG13 VAL A 30 10.050 8.284 1.257 1.00 65.11 H new ATOM 0 HG21 VAL A 30 7.616 10.104 1.787 1.00 50.32 H new ATOM 0 HG22 VAL A 30 7.485 8.448 1.148 1.00 50.32 H new ATOM 0 HG23 VAL A 30 6.602 8.905 2.624 1.00 50.32 H new ATOM 457 N TRP A 31 10.854 6.263 3.402 1.00 75.35 N ATOM 458 CA TRP A 31 12.091 5.846 4.052 1.00 35.12 C ATOM 459 C TRP A 31 13.285 6.040 3.125 1.00 23.41 C ATOM 460 O TRP A 31 13.151 5.972 1.903 1.00 63.10 O ATOM 461 CB TRP A 31 11.996 4.381 4.483 1.00 12.32 C ATOM 462 CG TRP A 31 12.875 4.047 5.650 1.00 44.41 C ATOM 463 CD1 TRP A 31 12.745 4.501 6.931 1.00 12.42 C ATOM 464 CD2 TRP A 31 14.022 3.190 5.641 1.00 73.41 C ATOM 465 NE1 TRP A 31 13.741 3.977 7.719 1.00 11.55 N ATOM 466 CE2 TRP A 31 14.537 3.169 6.952 1.00 72.11 C ATOM 467 CE3 TRP A 31 14.662 2.435 4.654 1.00 51.40 C ATOM 468 CZ2 TRP A 31 15.662 2.425 7.298 1.00 75.32 C ATOM 469 CZ3 TRP A 31 15.778 1.698 4.999 1.00 63.42 C ATOM 470 CH2 TRP A 31 16.269 1.696 6.311 1.00 35.25 C ATOM 0 H TRP A 31 10.851 6.148 2.389 1.00 75.35 H new ATOM 0 HA TRP A 31 12.236 6.468 4.935 1.00 35.12 H new ATOM 0 HB2 TRP A 31 10.962 4.151 4.739 1.00 12.32 H new ATOM 0 HB3 TRP A 31 12.265 3.744 3.641 1.00 12.32 H new ATOM 0 HD1 TRP A 31 11.973 5.173 7.274 1.00 12.42 H new ATOM 0 HE1 TRP A 31 13.867 4.160 8.714 1.00 11.55 H new ATOM 0 HE3 TRP A 31 14.291 2.428 3.640 1.00 51.40 H new ATOM 0 HZ2 TRP A 31 16.042 2.423 8.309 1.00 75.32 H new ATOM 0 HZ3 TRP A 31 16.281 1.113 4.244 1.00 63.42 H new ATOM 0 HH2 TRP A 31 17.143 1.108 6.548 1.00 35.25 H new ATOM 481 N ILE A 32 14.452 6.280 3.713 1.00 2.33 N ATOM 482 CA ILE A 32 15.670 6.482 2.939 1.00 43.24 C ATOM 483 C ILE A 32 16.756 5.495 3.353 1.00 34.43 C ATOM 484 O ILE A 32 16.812 5.066 4.506 1.00 54.05 O ATOM 485 CB ILE A 32 16.208 7.916 3.099 1.00 4.32 C ATOM 486 CG1 ILE A 32 15.066 8.928 2.988 1.00 2.32 C ATOM 487 CG2 ILE A 32 17.278 8.200 2.056 1.00 44.53 C ATOM 488 CD1 ILE A 32 14.375 8.914 1.643 1.00 41.34 C ATOM 0 H ILE A 32 14.580 6.339 4.723 1.00 2.33 H new ATOM 0 HA ILE A 32 15.410 6.315 1.894 1.00 43.24 H new ATOM 0 HB ILE A 32 16.658 8.011 4.087 1.00 4.32 H new ATOM 0 HG12 ILE A 32 14.332 8.722 3.767 1.00 2.32 H new ATOM 0 HG13 ILE A 32 15.458 9.928 3.176 1.00 2.32 H new ATOM 0 HG21 ILE A 32 17.648 9.217 2.182 1.00 44.53 H new ATOM 0 HG22 ILE A 32 18.101 7.496 2.179 1.00 44.53 H new ATOM 0 HG23 ILE A 32 16.852 8.090 1.059 1.00 44.53 H new ATOM 0 HD11 ILE A 32 13.577 9.656 1.636 1.00 41.34 H new ATOM 0 HD12 ILE A 32 15.096 9.150 0.861 1.00 41.34 H new ATOM 0 HD13 ILE A 32 13.953 7.926 1.461 1.00 41.34 H new ATOM 500 N ALA A 33 17.617 5.139 2.406 1.00 25.23 N ATOM 501 CA ALA A 33 18.704 4.205 2.674 1.00 60.20 C ATOM 502 C ALA A 33 20.046 4.926 2.731 1.00 4.11 C ATOM 503 O ALA A 33 20.597 5.315 1.701 1.00 63.40 O ATOM 504 CB ALA A 33 18.734 3.113 1.615 1.00 22.30 C ATOM 0 H ALA A 33 17.583 5.483 1.446 1.00 25.23 H new ATOM 0 HA ALA A 33 18.526 3.748 3.647 1.00 60.20 H new ATOM 0 HB1 ALA A 33 19.550 2.423 1.827 1.00 22.30 H new ATOM 0 HB2 ALA A 33 17.788 2.571 1.625 1.00 22.30 H new ATOM 0 HB3 ALA A 33 18.885 3.562 0.633 1.00 22.30 H new ATOM 510 N ARG A 34 20.567 5.103 3.941 1.00 20.51 N ATOM 511 CA ARG A 34 21.844 5.779 4.132 1.00 2.21 C ATOM 512 C ARG A 34 23.006 4.865 3.753 1.00 13.03 C ATOM 513 O ARG A 34 24.064 5.331 3.334 1.00 50.33 O ATOM 514 CB ARG A 34 21.992 6.234 5.585 1.00 2.31 C ATOM 515 CG ARG A 34 23.043 7.315 5.781 1.00 63.42 C ATOM 516 CD ARG A 34 23.244 7.637 7.253 1.00 35.35 C ATOM 517 NE ARG A 34 23.808 6.508 7.989 1.00 41.23 N ATOM 518 CZ ARG A 34 24.120 6.554 9.279 1.00 2.01 C ATOM 519 NH1 ARG A 34 23.923 7.666 9.973 1.00 2.41 N ATOM 520 NH2 ARG A 34 24.630 5.485 9.878 1.00 40.30 N ATOM 0 H ARG A 34 20.124 4.787 4.804 1.00 20.51 H new ATOM 0 HA ARG A 34 21.865 6.653 3.481 1.00 2.21 H new ATOM 0 HB2 ARG A 34 21.031 6.605 5.940 1.00 2.31 H new ATOM 0 HB3 ARG A 34 22.249 5.373 6.202 1.00 2.31 H new ATOM 0 HG2 ARG A 34 23.988 6.988 5.347 1.00 63.42 H new ATOM 0 HG3 ARG A 34 22.742 8.217 5.248 1.00 63.42 H new ATOM 0 HD2 ARG A 34 23.905 8.498 7.349 1.00 35.35 H new ATOM 0 HD3 ARG A 34 22.289 7.918 7.696 1.00 35.35 H new ATOM 0 HE ARG A 34 23.971 5.637 7.484 1.00 41.23 H new ATOM 0 HH11 ARG A 34 23.531 8.489 9.516 1.00 2.41 H new ATOM 0 HH12 ARG A 34 24.164 7.698 10.964 1.00 2.41 H new ATOM 0 HH21 ARG A 34 24.783 4.627 9.347 1.00 40.30 H new ATOM 0 HH22 ARG A 34 24.869 5.521 10.869 1.00 40.30 H new ATOM 534 N ASN A 35 22.799 3.561 3.905 1.00 25.21 N ATOM 535 CA ASN A 35 23.830 2.581 3.580 1.00 12.11 C ATOM 536 C ASN A 35 24.414 2.845 2.196 1.00 45.51 C ATOM 537 O ASN A 35 25.610 3.094 2.037 1.00 53.42 O ATOM 538 CB ASN A 35 23.254 1.165 3.641 1.00 54.02 C ATOM 539 CG ASN A 35 23.700 0.412 4.879 1.00 15.03 C ATOM 540 OD1 ASN A 35 23.711 0.960 5.982 1.00 71.32 O ATOM 541 ND2 ASN A 35 24.070 -0.851 4.702 1.00 11.13 N ATOM 0 H ASN A 35 21.928 3.158 4.251 1.00 25.21 H new ATOM 0 HA ASN A 35 24.629 2.673 4.316 1.00 12.11 H new ATOM 0 HB2 ASN A 35 22.165 1.218 3.624 1.00 54.02 H new ATOM 0 HB3 ASN A 35 23.561 0.612 2.753 1.00 54.02 H new ATOM 0 HD21 ASN A 35 24.379 -1.408 5.498 1.00 11.13 H new ATOM 0 HD22 ASN A 35 24.045 -1.264 3.770 1.00 11.13 H new ATOM 548 N PRO A 36 23.553 2.791 1.169 1.00 12.24 N ATOM 549 CA PRO A 36 23.960 3.023 -0.219 1.00 45.04 C ATOM 550 C PRO A 36 24.331 4.479 -0.480 1.00 15.25 C ATOM 551 O PRO A 36 24.104 5.360 0.350 1.00 10.22 O ATOM 552 CB PRO A 36 22.717 2.635 -1.024 1.00 10.45 C ATOM 553 CG PRO A 36 21.580 2.830 -0.081 1.00 2.44 C ATOM 554 CD PRO A 36 22.114 2.500 1.286 1.00 60.23 C ATOM 0 HA PRO A 36 24.850 2.452 -0.482 1.00 45.04 H new ATOM 0 HB2 PRO A 36 22.608 3.260 -1.910 1.00 10.45 H new ATOM 0 HB3 PRO A 36 22.774 1.602 -1.367 1.00 10.45 H new ATOM 0 HG2 PRO A 36 21.213 3.856 -0.119 1.00 2.44 H new ATOM 0 HG3 PRO A 36 20.743 2.182 -0.340 1.00 2.44 H new ATOM 0 HD2 PRO A 36 21.643 3.107 2.059 1.00 60.23 H new ATOM 0 HD3 PRO A 36 21.935 1.457 1.547 1.00 60.23 H new ATOM 562 N PRO A 37 24.913 4.741 -1.659 1.00 24.01 N ATOM 563 CA PRO A 37 25.326 6.090 -2.056 1.00 1.43 C ATOM 564 C PRO A 37 24.136 7.003 -2.330 1.00 40.43 C ATOM 565 O PRO A 37 24.188 8.204 -2.065 1.00 33.53 O ATOM 566 CB PRO A 37 26.126 5.854 -3.339 1.00 73.34 C ATOM 567 CG PRO A 37 25.592 4.575 -3.888 1.00 4.34 C ATOM 568 CD PRO A 37 25.214 3.740 -2.696 1.00 72.31 C ATOM 0 HA PRO A 37 25.893 6.590 -1.271 1.00 1.43 H new ATOM 0 HB2 PRO A 37 25.993 6.674 -4.045 1.00 73.34 H new ATOM 0 HB3 PRO A 37 27.194 5.781 -3.132 1.00 73.34 H new ATOM 0 HG2 PRO A 37 24.728 4.755 -4.528 1.00 4.34 H new ATOM 0 HG3 PRO A 37 26.341 4.069 -4.498 1.00 4.34 H new ATOM 0 HD2 PRO A 37 24.352 3.107 -2.906 1.00 72.31 H new ATOM 0 HD3 PRO A 37 26.027 3.080 -2.394 1.00 72.31 H new ATOM 576 N GLY A 38 23.063 6.426 -2.864 1.00 5.14 N ATOM 577 CA GLY A 38 21.875 7.203 -3.165 1.00 4.23 C ATOM 578 C GLY A 38 20.689 6.332 -3.526 1.00 71.30 C ATOM 579 O GLY A 38 20.396 6.126 -4.704 1.00 42.21 O ATOM 0 H GLY A 38 22.996 5.434 -3.093 1.00 5.14 H new ATOM 0 HA2 GLY A 38 21.620 7.820 -2.303 1.00 4.23 H new ATOM 0 HA3 GLY A 38 22.088 7.882 -3.991 1.00 4.23 H new ATOM 583 N PHE A 39 20.004 5.816 -2.510 1.00 42.34 N ATOM 584 CA PHE A 39 18.844 4.960 -2.727 1.00 22.52 C ATOM 585 C PHE A 39 17.811 5.153 -1.620 1.00 65.53 C ATOM 586 O PHE A 39 18.144 5.133 -0.436 1.00 22.43 O ATOM 587 CB PHE A 39 19.272 3.492 -2.790 1.00 63.11 C ATOM 588 CG PHE A 39 19.724 3.058 -4.155 1.00 61.51 C ATOM 589 CD1 PHE A 39 18.843 3.061 -5.225 1.00 3.14 C ATOM 590 CD2 PHE A 39 21.030 2.645 -4.368 1.00 54.15 C ATOM 591 CE1 PHE A 39 19.256 2.662 -6.482 1.00 51.41 C ATOM 592 CE2 PHE A 39 21.448 2.246 -5.624 1.00 31.33 C ATOM 593 CZ PHE A 39 20.560 2.253 -6.681 1.00 53.15 C ATOM 0 H PHE A 39 20.233 5.976 -1.529 1.00 42.34 H new ATOM 0 HA PHE A 39 18.389 5.240 -3.677 1.00 22.52 H new ATOM 0 HB2 PHE A 39 20.081 3.327 -2.078 1.00 63.11 H new ATOM 0 HB3 PHE A 39 18.438 2.865 -2.476 1.00 63.11 H new ATOM 0 HD1 PHE A 39 17.822 3.379 -5.075 1.00 3.14 H new ATOM 0 HD2 PHE A 39 21.728 2.635 -3.544 1.00 54.15 H new ATOM 0 HE1 PHE A 39 18.560 2.670 -7.308 1.00 51.41 H new ATOM 0 HE2 PHE A 39 22.469 1.929 -5.778 1.00 31.33 H new ATOM 0 HZ PHE A 39 20.885 1.939 -7.662 1.00 53.15 H new ATOM 603 N ALA A 40 16.557 5.340 -2.016 1.00 72.03 N ATOM 604 CA ALA A 40 15.475 5.535 -1.059 1.00 53.34 C ATOM 605 C ALA A 40 14.270 4.667 -1.408 1.00 3.40 C ATOM 606 O ALA A 40 14.051 4.332 -2.572 1.00 35.41 O ATOM 607 CB ALA A 40 15.074 7.002 -1.008 1.00 53.13 C ATOM 0 H ALA A 40 16.265 5.361 -2.993 1.00 72.03 H new ATOM 0 HA ALA A 40 15.834 5.233 -0.075 1.00 53.34 H new ATOM 0 HB1 ALA A 40 14.265 7.133 -0.289 1.00 53.13 H new ATOM 0 HB2 ALA A 40 15.931 7.603 -0.704 1.00 53.13 H new ATOM 0 HB3 ALA A 40 14.738 7.322 -1.994 1.00 53.13 H new ATOM 613 N PHE A 41 13.493 4.307 -0.392 1.00 61.52 N ATOM 614 CA PHE A 41 12.311 3.476 -0.591 1.00 63.24 C ATOM 615 C PHE A 41 11.057 4.186 -0.092 1.00 54.32 C ATOM 616 O PHE A 41 11.101 4.938 0.882 1.00 70.22 O ATOM 617 CB PHE A 41 12.475 2.137 0.132 1.00 51.34 C ATOM 618 CG PHE A 41 13.320 1.149 -0.620 1.00 50.13 C ATOM 619 CD1 PHE A 41 14.702 1.200 -0.544 1.00 24.14 C ATOM 620 CD2 PHE A 41 12.732 0.170 -1.404 1.00 73.24 C ATOM 621 CE1 PHE A 41 15.483 0.292 -1.234 1.00 20.20 C ATOM 622 CE2 PHE A 41 13.507 -0.741 -2.097 1.00 21.24 C ATOM 623 CZ PHE A 41 14.884 -0.679 -2.012 1.00 64.33 C ATOM 0 H PHE A 41 13.660 4.577 0.577 1.00 61.52 H new ATOM 0 HA PHE A 41 12.202 3.293 -1.660 1.00 63.24 H new ATOM 0 HB2 PHE A 41 12.921 2.314 1.111 1.00 51.34 H new ATOM 0 HB3 PHE A 41 11.490 1.703 0.305 1.00 51.34 H new ATOM 0 HD1 PHE A 41 15.175 1.959 0.062 1.00 24.14 H new ATOM 0 HD2 PHE A 41 11.656 0.118 -1.475 1.00 73.24 H new ATOM 0 HE1 PHE A 41 16.560 0.342 -1.165 1.00 20.20 H new ATOM 0 HE2 PHE A 41 13.036 -1.500 -2.704 1.00 21.24 H new ATOM 0 HZ PHE A 41 15.492 -1.389 -2.553 1.00 64.33 H new ATOM 633 N VAL A 42 9.938 3.943 -0.768 1.00 13.24 N ATOM 634 CA VAL A 42 8.670 4.558 -0.394 1.00 11.45 C ATOM 635 C VAL A 42 7.525 3.556 -0.483 1.00 21.35 C ATOM 636 O VAL A 42 7.529 2.669 -1.336 1.00 22.15 O ATOM 637 CB VAL A 42 8.348 5.769 -1.289 1.00 51.41 C ATOM 638 CG1 VAL A 42 6.987 6.349 -0.934 1.00 43.43 C ATOM 639 CG2 VAL A 42 9.435 6.826 -1.167 1.00 4.11 C ATOM 0 H VAL A 42 9.884 3.325 -1.577 1.00 13.24 H new ATOM 0 HA VAL A 42 8.774 4.895 0.637 1.00 11.45 H new ATOM 0 HB VAL A 42 8.314 5.433 -2.326 1.00 51.41 H new ATOM 0 HG11 VAL A 42 6.777 7.204 -1.577 1.00 43.43 H new ATOM 0 HG12 VAL A 42 6.219 5.589 -1.078 1.00 43.43 H new ATOM 0 HG13 VAL A 42 6.989 6.670 0.108 1.00 43.43 H new ATOM 0 HG21 VAL A 42 9.191 7.674 -1.806 1.00 4.11 H new ATOM 0 HG22 VAL A 42 9.503 7.160 -0.132 1.00 4.11 H new ATOM 0 HG23 VAL A 42 10.391 6.402 -1.476 1.00 4.11 H new ATOM 649 N GLU A 43 6.546 3.704 0.404 1.00 33.43 N ATOM 650 CA GLU A 43 5.394 2.810 0.425 1.00 32.34 C ATOM 651 C GLU A 43 4.107 3.573 0.123 1.00 65.24 C ATOM 652 O GLU A 43 3.755 4.521 0.824 1.00 4.41 O ATOM 653 CB GLU A 43 5.282 2.118 1.786 1.00 54.42 C ATOM 654 CG GLU A 43 4.346 0.921 1.785 1.00 52.41 C ATOM 655 CD GLU A 43 4.772 -0.153 2.766 1.00 22.21 C ATOM 656 OE1 GLU A 43 5.907 -0.658 2.636 1.00 4.52 O ATOM 657 OE2 GLU A 43 3.971 -0.490 3.663 1.00 25.00 O ATOM 0 H GLU A 43 6.527 4.434 1.117 1.00 33.43 H new ATOM 0 HA GLU A 43 5.538 2.055 -0.348 1.00 32.34 H new ATOM 0 HB2 GLU A 43 6.273 1.793 2.102 1.00 54.42 H new ATOM 0 HB3 GLU A 43 4.933 2.841 2.524 1.00 54.42 H new ATOM 0 HG2 GLU A 43 3.337 1.253 2.031 1.00 52.41 H new ATOM 0 HG3 GLU A 43 4.306 0.496 0.782 1.00 52.41 H new ATOM 664 N PHE A 44 3.410 3.152 -0.927 1.00 60.23 N ATOM 665 CA PHE A 44 2.163 3.796 -1.325 1.00 25.40 C ATOM 666 C PHE A 44 0.960 2.961 -0.897 1.00 72.04 C ATOM 667 O PHE A 44 0.821 1.805 -1.295 1.00 72.03 O ATOM 668 CB PHE A 44 2.137 4.011 -2.840 1.00 13.34 C ATOM 669 CG PHE A 44 2.069 5.458 -3.238 1.00 32.10 C ATOM 670 CD1 PHE A 44 1.130 6.303 -2.669 1.00 53.34 C ATOM 671 CD2 PHE A 44 2.944 5.972 -4.181 1.00 2.44 C ATOM 672 CE1 PHE A 44 1.065 7.635 -3.035 1.00 33.41 C ATOM 673 CE2 PHE A 44 2.884 7.303 -4.550 1.00 2.12 C ATOM 674 CZ PHE A 44 1.944 8.135 -3.975 1.00 53.43 C ATOM 0 H PHE A 44 3.687 2.368 -1.518 1.00 60.23 H new ATOM 0 HA PHE A 44 2.107 4.764 -0.827 1.00 25.40 H new ATOM 0 HB2 PHE A 44 3.029 3.563 -3.278 1.00 13.34 H new ATOM 0 HB3 PHE A 44 1.278 3.486 -3.259 1.00 13.34 H new ATOM 0 HD1 PHE A 44 0.441 5.917 -1.932 1.00 53.34 H new ATOM 0 HD2 PHE A 44 3.682 5.325 -4.633 1.00 2.44 H new ATOM 0 HE1 PHE A 44 0.327 8.284 -2.586 1.00 33.41 H new ATOM 0 HE2 PHE A 44 3.571 7.691 -5.287 1.00 2.12 H new ATOM 0 HZ PHE A 44 1.896 9.176 -4.260 1.00 53.43 H new ATOM 684 N GLU A 45 0.093 3.556 -0.084 1.00 2.32 N ATOM 685 CA GLU A 45 -1.098 2.867 0.399 1.00 3.30 C ATOM 686 C GLU A 45 -1.862 2.228 -0.756 1.00 74.15 C ATOM 687 O GLU A 45 -2.459 1.162 -0.605 1.00 70.35 O ATOM 688 CB GLU A 45 -2.008 3.841 1.151 1.00 61.05 C ATOM 689 CG GLU A 45 -2.890 3.170 2.190 1.00 54.32 C ATOM 690 CD GLU A 45 -3.383 4.138 3.248 1.00 33.34 C ATOM 691 OE1 GLU A 45 -3.470 5.348 2.951 1.00 31.32 O ATOM 692 OE2 GLU A 45 -3.682 3.685 4.373 1.00 3.54 O ATOM 0 H GLU A 45 0.193 4.513 0.254 1.00 2.32 H new ATOM 0 HA GLU A 45 -0.779 2.079 1.081 1.00 3.30 H new ATOM 0 HB2 GLU A 45 -1.393 4.595 1.641 1.00 61.05 H new ATOM 0 HB3 GLU A 45 -2.640 4.363 0.433 1.00 61.05 H new ATOM 0 HG2 GLU A 45 -3.746 2.713 1.694 1.00 54.32 H new ATOM 0 HG3 GLU A 45 -2.332 2.366 2.670 1.00 54.32 H new ATOM 699 N ASP A 46 -1.840 2.887 -1.909 1.00 51.44 N ATOM 700 CA ASP A 46 -2.530 2.384 -3.091 1.00 53.35 C ATOM 701 C ASP A 46 -1.578 2.295 -4.280 1.00 30.32 C ATOM 702 O ASP A 46 -0.629 3.069 -4.406 1.00 53.22 O ATOM 703 CB ASP A 46 -3.716 3.287 -3.439 1.00 25.52 C ATOM 704 CG ASP A 46 -4.510 3.696 -2.214 1.00 61.01 C ATOM 705 OD1 ASP A 46 -5.098 2.807 -1.563 1.00 64.30 O ATOM 706 OD2 ASP A 46 -4.543 4.906 -1.906 1.00 71.51 O ATOM 0 H ASP A 46 -1.352 3.771 -2.050 1.00 51.44 H new ATOM 0 HA ASP A 46 -2.898 1.383 -2.867 1.00 53.35 H new ATOM 0 HB2 ASP A 46 -3.352 4.180 -3.948 1.00 25.52 H new ATOM 0 HB3 ASP A 46 -4.372 2.767 -4.137 1.00 25.52 H new ATOM 711 N PRO A 47 -1.834 1.327 -5.172 1.00 73.33 N ATOM 712 CA PRO A 47 -1.011 1.112 -6.366 1.00 1.31 C ATOM 713 C PRO A 47 -1.170 2.232 -7.388 1.00 44.35 C ATOM 714 O PRO A 47 -0.187 2.714 -7.953 1.00 32.01 O ATOM 715 CB PRO A 47 -1.543 -0.207 -6.931 1.00 65.12 C ATOM 716 CG PRO A 47 -2.945 -0.294 -6.435 1.00 64.14 C ATOM 717 CD PRO A 47 -2.948 0.367 -5.085 1.00 51.40 C ATOM 0 HA PRO A 47 0.053 1.092 -6.130 1.00 1.31 H new ATOM 0 HB2 PRO A 47 -1.507 -0.214 -8.020 1.00 65.12 H new ATOM 0 HB3 PRO A 47 -0.948 -1.053 -6.587 1.00 65.12 H new ATOM 0 HG2 PRO A 47 -3.632 0.208 -7.117 1.00 64.14 H new ATOM 0 HG3 PRO A 47 -3.269 -1.332 -6.362 1.00 64.14 H new ATOM 0 HD2 PRO A 47 -3.895 0.868 -4.885 1.00 51.40 H new ATOM 0 HD3 PRO A 47 -2.794 -0.356 -4.284 1.00 51.40 H new ATOM 725 N ARG A 48 -2.412 2.643 -7.622 1.00 21.41 N ATOM 726 CA ARG A 48 -2.699 3.706 -8.577 1.00 64.23 C ATOM 727 C ARG A 48 -1.824 4.927 -8.310 1.00 13.52 C ATOM 728 O ARG A 48 -1.209 5.475 -9.225 1.00 1.13 O ATOM 729 CB ARG A 48 -4.176 4.098 -8.509 1.00 23.33 C ATOM 730 CG ARG A 48 -4.591 5.097 -9.576 1.00 71.43 C ATOM 731 CD ARG A 48 -5.989 4.805 -10.099 1.00 30.42 C ATOM 732 NE ARG A 48 -6.964 4.690 -9.018 1.00 34.21 N ATOM 733 CZ ARG A 48 -8.256 4.452 -9.216 1.00 32.21 C ATOM 734 NH1 ARG A 48 -8.725 4.304 -10.447 1.00 73.21 N ATOM 735 NH2 ARG A 48 -9.082 4.361 -8.181 1.00 24.01 N ATOM 0 H ARG A 48 -3.236 2.255 -7.163 1.00 21.41 H new ATOM 0 HA ARG A 48 -2.476 3.332 -9.576 1.00 64.23 H new ATOM 0 HB2 ARG A 48 -4.786 3.200 -8.607 1.00 23.33 H new ATOM 0 HB3 ARG A 48 -4.386 4.521 -7.526 1.00 23.33 H new ATOM 0 HG2 ARG A 48 -4.559 6.106 -9.164 1.00 71.43 H new ATOM 0 HG3 ARG A 48 -3.879 5.067 -10.401 1.00 71.43 H new ATOM 0 HD2 ARG A 48 -6.295 5.599 -10.780 1.00 30.42 H new ATOM 0 HD3 ARG A 48 -5.975 3.879 -10.675 1.00 30.42 H new ATOM 0 HE ARG A 48 -6.635 4.798 -8.059 1.00 34.21 H new ATOM 0 HH11 ARG A 48 -8.093 4.373 -11.245 1.00 73.21 H new ATOM 0 HH12 ARG A 48 -9.717 4.121 -10.596 1.00 73.21 H new ATOM 0 HH21 ARG A 48 -8.725 4.474 -7.232 1.00 24.01 H new ATOM 0 HH22 ARG A 48 -10.074 4.178 -8.334 1.00 24.01 H new ATOM 749 N ASP A 49 -1.775 5.349 -7.051 1.00 72.00 N ATOM 750 CA ASP A 49 -0.976 6.505 -6.663 1.00 11.44 C ATOM 751 C ASP A 49 0.495 6.288 -7.001 1.00 23.41 C ATOM 752 O ASP A 49 1.199 7.222 -7.382 1.00 65.05 O ATOM 753 CB ASP A 49 -1.133 6.781 -5.166 1.00 42.03 C ATOM 754 CG ASP A 49 -2.582 6.758 -4.722 1.00 52.41 C ATOM 755 OD1 ASP A 49 -3.468 6.976 -5.575 1.00 51.43 O ATOM 756 OD2 ASP A 49 -2.831 6.522 -3.522 1.00 23.14 O ATOM 0 H ASP A 49 -2.279 4.908 -6.282 1.00 72.00 H new ATOM 0 HA ASP A 49 -1.335 7.368 -7.224 1.00 11.44 H new ATOM 0 HB2 ASP A 49 -0.571 6.037 -4.601 1.00 42.03 H new ATOM 0 HB3 ASP A 49 -0.700 7.753 -4.931 1.00 42.03 H new ATOM 761 N ALA A 50 0.953 5.048 -6.857 1.00 41.23 N ATOM 762 CA ALA A 50 2.340 4.708 -7.149 1.00 21.35 C ATOM 763 C ALA A 50 2.594 4.679 -8.652 1.00 5.52 C ATOM 764 O ALA A 50 3.639 5.129 -9.122 1.00 21.23 O ATOM 765 CB ALA A 50 2.696 3.366 -6.526 1.00 20.22 C ATOM 0 H ALA A 50 0.384 4.263 -6.540 1.00 41.23 H new ATOM 0 HA ALA A 50 2.976 5.479 -6.715 1.00 21.35 H new ATOM 0 HB1 ALA A 50 3.735 3.124 -6.752 1.00 20.22 H new ATOM 0 HB2 ALA A 50 2.562 3.420 -5.446 1.00 20.22 H new ATOM 0 HB3 ALA A 50 2.046 2.592 -6.934 1.00 20.22 H new ATOM 771 N GLU A 51 1.633 4.148 -9.400 1.00 51.03 N ATOM 772 CA GLU A 51 1.755 4.060 -10.851 1.00 1.43 C ATOM 773 C GLU A 51 1.891 5.448 -11.470 1.00 43.40 C ATOM 774 O GLU A 51 2.731 5.671 -12.342 1.00 43.01 O ATOM 775 CB GLU A 51 0.542 3.342 -11.445 1.00 32.25 C ATOM 776 CG GLU A 51 0.893 2.384 -12.571 1.00 14.21 C ATOM 777 CD GLU A 51 0.042 1.129 -12.556 1.00 23.25 C ATOM 778 OE1 GLU A 51 -1.083 1.182 -12.016 1.00 60.23 O ATOM 779 OE2 GLU A 51 0.502 0.094 -13.082 1.00 33.11 O ATOM 0 H GLU A 51 0.762 3.772 -9.026 1.00 51.03 H new ATOM 0 HA GLU A 51 2.654 3.488 -11.080 1.00 1.43 H new ATOM 0 HB2 GLU A 51 0.034 2.790 -10.654 1.00 32.25 H new ATOM 0 HB3 GLU A 51 -0.163 4.085 -11.818 1.00 32.25 H new ATOM 0 HG2 GLU A 51 0.768 2.892 -13.527 1.00 14.21 H new ATOM 0 HG3 GLU A 51 1.944 2.107 -12.493 1.00 14.21 H new ATOM 786 N ASP A 52 1.059 6.378 -11.013 1.00 70.43 N ATOM 787 CA ASP A 52 1.086 7.744 -11.521 1.00 52.42 C ATOM 788 C ASP A 52 2.320 8.487 -11.019 1.00 22.40 C ATOM 789 O ASP A 52 3.050 9.097 -11.800 1.00 20.24 O ATOM 790 CB ASP A 52 -0.180 8.492 -11.101 1.00 15.20 C ATOM 791 CG ASP A 52 -0.553 9.593 -12.074 1.00 44.34 C ATOM 792 OD1 ASP A 52 0.366 10.193 -12.670 1.00 41.14 O ATOM 793 OD2 ASP A 52 -1.763 9.856 -12.240 1.00 25.34 O ATOM 0 H ASP A 52 0.358 6.210 -10.292 1.00 70.43 H new ATOM 0 HA ASP A 52 1.129 7.699 -12.609 1.00 52.42 H new ATOM 0 HB2 ASP A 52 -1.006 7.786 -11.022 1.00 15.20 H new ATOM 0 HB3 ASP A 52 -0.033 8.922 -10.110 1.00 15.20 H new ATOM 798 N ALA A 53 2.547 8.431 -9.711 1.00 35.44 N ATOM 799 CA ALA A 53 3.693 9.097 -9.104 1.00 73.54 C ATOM 800 C ALA A 53 4.999 8.621 -9.731 1.00 52.05 C ATOM 801 O ALA A 53 5.860 9.427 -10.084 1.00 54.42 O ATOM 802 CB ALA A 53 3.708 8.857 -7.602 1.00 24.01 C ATOM 0 H ALA A 53 1.952 7.931 -9.051 1.00 35.44 H new ATOM 0 HA ALA A 53 3.600 10.167 -9.289 1.00 73.54 H new ATOM 0 HB1 ALA A 53 4.569 9.360 -7.162 1.00 24.01 H new ATOM 0 HB2 ALA A 53 2.793 9.252 -7.161 1.00 24.01 H new ATOM 0 HB3 ALA A 53 3.773 7.787 -7.405 1.00 24.01 H new ATOM 808 N VAL A 54 5.141 7.306 -9.867 1.00 53.31 N ATOM 809 CA VAL A 54 6.342 6.723 -10.452 1.00 42.32 C ATOM 810 C VAL A 54 6.459 7.074 -11.931 1.00 71.13 C ATOM 811 O VAL A 54 7.520 7.486 -12.400 1.00 61.22 O ATOM 812 CB VAL A 54 6.356 5.191 -10.296 1.00 54.04 C ATOM 813 CG1 VAL A 54 7.487 4.581 -11.110 1.00 3.44 C ATOM 814 CG2 VAL A 54 6.475 4.806 -8.830 1.00 13.15 C ATOM 0 H VAL A 54 4.439 6.625 -9.580 1.00 53.31 H new ATOM 0 HA VAL A 54 7.192 7.143 -9.914 1.00 42.32 H new ATOM 0 HB VAL A 54 5.414 4.796 -10.676 1.00 54.04 H new ATOM 0 HG11 VAL A 54 7.481 3.498 -10.987 1.00 3.44 H new ATOM 0 HG12 VAL A 54 7.351 4.827 -12.163 1.00 3.44 H new ATOM 0 HG13 VAL A 54 8.441 4.980 -10.764 1.00 3.44 H new ATOM 0 HG21 VAL A 54 6.483 3.720 -8.739 1.00 13.15 H new ATOM 0 HG22 VAL A 54 7.400 5.212 -8.421 1.00 13.15 H new ATOM 0 HG23 VAL A 54 5.627 5.210 -8.278 1.00 13.15 H new ATOM 824 N ARG A 55 5.361 6.908 -12.661 1.00 51.14 N ATOM 825 CA ARG A 55 5.340 7.206 -14.088 1.00 40.44 C ATOM 826 C ARG A 55 5.835 8.625 -14.354 1.00 52.15 C ATOM 827 O ARG A 55 6.584 8.865 -15.300 1.00 63.11 O ATOM 828 CB ARG A 55 3.926 7.035 -14.646 1.00 71.13 C ATOM 829 CG ARG A 55 3.619 5.618 -15.102 1.00 34.21 C ATOM 830 CD ARG A 55 2.168 5.474 -15.533 1.00 74.42 C ATOM 831 NE ARG A 55 1.911 4.184 -16.170 1.00 3.52 N ATOM 832 CZ ARG A 55 2.224 3.913 -17.432 1.00 53.21 C ATOM 833 NH1 ARG A 55 2.801 4.836 -18.189 1.00 3.14 N ATOM 834 NH2 ARG A 55 1.959 2.716 -17.940 1.00 12.21 N ATOM 0 H ARG A 55 4.474 6.569 -12.288 1.00 51.14 H new ATOM 0 HA ARG A 55 6.008 6.506 -14.590 1.00 40.44 H new ATOM 0 HB2 ARG A 55 3.205 7.326 -13.882 1.00 71.13 H new ATOM 0 HB3 ARG A 55 3.791 7.716 -15.487 1.00 71.13 H new ATOM 0 HG2 ARG A 55 4.274 5.351 -15.931 1.00 34.21 H new ATOM 0 HG3 ARG A 55 3.830 4.920 -14.292 1.00 34.21 H new ATOM 0 HD2 ARG A 55 1.519 5.585 -14.664 1.00 74.42 H new ATOM 0 HD3 ARG A 55 1.914 6.277 -16.225 1.00 74.42 H new ATOM 0 HE ARG A 55 1.467 3.452 -15.615 1.00 3.52 H new ATOM 0 HH11 ARG A 55 3.006 5.757 -17.803 1.00 3.14 H new ATOM 0 HH12 ARG A 55 3.040 4.625 -19.158 1.00 3.14 H new ATOM 0 HH21 ARG A 55 1.515 2.003 -17.361 1.00 12.21 H new ATOM 0 HH22 ARG A 55 2.200 2.509 -18.909 1.00 12.21 H new ATOM 848 N GLY A 56 5.409 9.563 -13.513 1.00 71.42 N ATOM 849 CA GLY A 56 5.818 10.946 -13.675 1.00 30.42 C ATOM 850 C GLY A 56 7.207 11.207 -13.127 1.00 12.33 C ATOM 851 O GLY A 56 8.088 11.679 -13.847 1.00 20.41 O ATOM 0 H GLY A 56 4.788 9.390 -12.723 1.00 71.42 H new ATOM 0 HA2 GLY A 56 5.793 11.208 -14.733 1.00 30.42 H new ATOM 0 HA3 GLY A 56 5.103 11.595 -13.169 1.00 30.42 H new ATOM 855 N LEU A 57 7.404 10.903 -11.849 1.00 14.03 N ATOM 856 CA LEU A 57 8.695 11.110 -11.203 1.00 64.42 C ATOM 857 C LEU A 57 9.821 10.495 -12.029 1.00 21.03 C ATOM 858 O LEU A 57 10.872 11.107 -12.216 1.00 45.55 O ATOM 859 CB LEU A 57 8.688 10.504 -9.798 1.00 44.15 C ATOM 860 CG LEU A 57 7.764 11.176 -8.782 1.00 43.24 C ATOM 861 CD1 LEU A 57 7.566 10.283 -7.568 1.00 24.50 C ATOM 862 CD2 LEU A 57 8.324 12.529 -8.366 1.00 74.10 C ATOM 0 H LEU A 57 6.686 10.512 -11.239 1.00 14.03 H new ATOM 0 HA LEU A 57 8.868 12.183 -11.128 1.00 64.42 H new ATOM 0 HB2 LEU A 57 8.405 9.454 -9.878 1.00 44.15 H new ATOM 0 HB3 LEU A 57 9.705 10.531 -9.407 1.00 44.15 H new ATOM 0 HG LEU A 57 6.793 11.335 -9.252 1.00 43.24 H new ATOM 0 HD11 LEU A 57 6.906 10.778 -6.856 1.00 24.50 H new ATOM 0 HD12 LEU A 57 7.121 9.338 -7.880 1.00 24.50 H new ATOM 0 HD13 LEU A 57 8.530 10.091 -7.096 1.00 24.50 H new ATOM 0 HD21 LEU A 57 7.654 12.993 -7.643 1.00 74.10 H new ATOM 0 HD22 LEU A 57 9.307 12.393 -7.915 1.00 74.10 H new ATOM 0 HD23 LEU A 57 8.413 13.171 -9.242 1.00 74.10 H new ATOM 874 N ASP A 58 9.593 9.282 -12.521 1.00 14.51 N ATOM 875 CA ASP A 58 10.586 8.586 -13.330 1.00 22.24 C ATOM 876 C ASP A 58 10.497 9.017 -14.790 1.00 43.12 C ATOM 877 O ASP A 58 11.508 9.097 -15.487 1.00 1.41 O ATOM 878 CB ASP A 58 10.395 7.072 -13.219 1.00 54.43 C ATOM 879 CG ASP A 58 11.553 6.297 -13.815 1.00 40.15 C ATOM 880 OD1 ASP A 58 12.629 6.899 -14.015 1.00 31.44 O ATOM 881 OD2 ASP A 58 11.383 5.089 -14.084 1.00 5.12 O ATOM 0 H ASP A 58 8.729 8.761 -12.373 1.00 14.51 H new ATOM 0 HA ASP A 58 11.574 8.848 -12.953 1.00 22.24 H new ATOM 0 HB2 ASP A 58 10.281 6.799 -12.170 1.00 54.43 H new ATOM 0 HB3 ASP A 58 9.472 6.787 -13.725 1.00 54.43 H new ATOM 886 N GLY A 59 9.280 9.293 -15.248 1.00 34.22 N ATOM 887 CA GLY A 59 9.081 9.711 -16.623 1.00 41.11 C ATOM 888 C GLY A 59 9.949 10.895 -17.000 1.00 1.41 C ATOM 889 O GLY A 59 10.509 10.941 -18.095 1.00 63.14 O ATOM 0 H GLY A 59 8.428 9.234 -14.691 1.00 34.22 H new ATOM 0 HA2 GLY A 59 9.301 8.876 -17.289 1.00 41.11 H new ATOM 0 HA3 GLY A 59 8.033 9.970 -16.773 1.00 41.11 H new ATOM 893 N LYS A 60 10.060 11.858 -16.091 1.00 44.21 N ATOM 894 CA LYS A 60 10.866 13.049 -16.333 1.00 13.55 C ATOM 895 C LYS A 60 11.453 13.582 -15.030 1.00 3.33 C ATOM 896 O LYS A 60 11.447 12.896 -14.008 1.00 31.04 O ATOM 897 CB LYS A 60 10.020 14.134 -17.004 1.00 44.13 C ATOM 898 CG LYS A 60 10.457 14.453 -18.424 1.00 12.34 C ATOM 899 CD LYS A 60 11.483 15.574 -18.453 1.00 21.52 C ATOM 900 CE LYS A 60 10.881 16.893 -17.995 1.00 1.03 C ATOM 901 NZ LYS A 60 11.433 18.048 -18.755 1.00 50.23 N ATOM 0 H LYS A 60 9.602 11.837 -15.180 1.00 44.21 H new ATOM 0 HA LYS A 60 11.687 12.774 -16.996 1.00 13.55 H new ATOM 0 HB2 LYS A 60 8.978 13.815 -17.016 1.00 44.13 H new ATOM 0 HB3 LYS A 60 10.068 15.043 -16.405 1.00 44.13 H new ATOM 0 HG2 LYS A 60 10.879 13.560 -18.885 1.00 12.34 H new ATOM 0 HG3 LYS A 60 9.588 14.738 -19.018 1.00 12.34 H new ATOM 0 HD2 LYS A 60 12.325 15.315 -17.811 1.00 21.52 H new ATOM 0 HD3 LYS A 60 11.875 15.684 -19.464 1.00 21.52 H new ATOM 0 HE2 LYS A 60 9.799 16.861 -18.119 1.00 1.03 H new ATOM 0 HE3 LYS A 60 11.076 17.031 -16.932 1.00 1.03 H new ATOM 0 HZ1 LYS A 60 10.998 18.928 -18.413 1.00 50.23 H new ATOM 0 HZ2 LYS A 60 12.463 18.094 -18.617 1.00 50.23 H new ATOM 0 HZ3 LYS A 60 11.225 17.929 -19.767 1.00 50.23 H new ATOM 915 N VAL A 61 11.960 14.811 -15.073 1.00 33.43 N ATOM 916 CA VAL A 61 12.549 15.436 -13.895 1.00 13.41 C ATOM 917 C VAL A 61 11.516 16.264 -13.138 1.00 42.42 C ATOM 918 O VAL A 61 10.740 17.007 -13.740 1.00 34.23 O ATOM 919 CB VAL A 61 13.737 16.340 -14.274 1.00 60.14 C ATOM 920 CG1 VAL A 61 13.284 17.455 -15.205 1.00 25.30 C ATOM 921 CG2 VAL A 61 14.393 16.910 -13.026 1.00 34.34 C ATOM 0 H VAL A 61 11.974 15.393 -15.911 1.00 33.43 H new ATOM 0 HA VAL A 61 12.905 14.630 -13.254 1.00 13.41 H new ATOM 0 HB VAL A 61 14.476 15.737 -14.801 1.00 60.14 H new ATOM 0 HG11 VAL A 61 14.137 18.083 -15.462 1.00 25.30 H new ATOM 0 HG12 VAL A 61 12.865 17.023 -16.114 1.00 25.30 H new ATOM 0 HG13 VAL A 61 12.525 18.059 -14.707 1.00 25.30 H new ATOM 0 HG21 VAL A 61 15.230 17.546 -13.313 1.00 34.34 H new ATOM 0 HG22 VAL A 61 13.664 17.499 -12.469 1.00 34.34 H new ATOM 0 HG23 VAL A 61 14.755 16.094 -12.400 1.00 34.34 H new ATOM 931 N ILE A 62 11.514 16.132 -11.816 1.00 52.21 N ATOM 932 CA ILE A 62 10.578 16.870 -10.977 1.00 34.31 C ATOM 933 C ILE A 62 11.305 17.886 -10.103 1.00 63.31 C ATOM 934 O ILE A 62 12.203 17.531 -9.337 1.00 55.43 O ATOM 935 CB ILE A 62 9.764 15.923 -10.075 1.00 10.02 C ATOM 936 CG1 ILE A 62 8.926 16.727 -9.078 1.00 43.35 C ATOM 937 CG2 ILE A 62 10.690 14.963 -9.343 1.00 71.11 C ATOM 938 CD1 ILE A 62 9.564 16.848 -7.712 1.00 51.11 C ATOM 0 H ILE A 62 12.150 15.521 -11.303 1.00 52.21 H new ATOM 0 HA ILE A 62 9.898 17.394 -11.649 1.00 34.31 H new ATOM 0 HB ILE A 62 9.089 15.340 -10.701 1.00 10.02 H new ATOM 0 HG12 ILE A 62 8.756 17.726 -9.481 1.00 43.35 H new ATOM 0 HG13 ILE A 62 7.949 16.255 -8.973 1.00 43.35 H new ATOM 0 HG21 ILE A 62 10.100 14.300 -8.710 1.00 71.11 H new ATOM 0 HG22 ILE A 62 11.247 14.370 -10.069 1.00 71.11 H new ATOM 0 HG23 ILE A 62 11.387 15.530 -8.725 1.00 71.11 H new ATOM 0 HD11 ILE A 62 8.915 17.430 -7.058 1.00 51.11 H new ATOM 0 HD12 ILE A 62 9.709 15.854 -7.289 1.00 51.11 H new ATOM 0 HD13 ILE A 62 10.529 17.347 -7.804 1.00 51.11 H new ATOM 950 N CYS A 63 10.912 19.149 -10.222 1.00 31.13 N ATOM 951 CA CYS A 63 11.526 20.217 -9.442 1.00 1.44 C ATOM 952 C CYS A 63 13.047 20.160 -9.544 1.00 12.12 C ATOM 953 O CYS A 63 13.751 20.278 -8.542 1.00 44.33 O ATOM 954 CB CYS A 63 11.097 20.119 -7.977 1.00 2.11 C ATOM 955 SG CYS A 63 10.889 21.718 -7.160 1.00 12.53 S ATOM 0 H CYS A 63 10.171 19.458 -10.851 1.00 31.13 H new ATOM 0 HA CYS A 63 11.188 21.170 -9.849 1.00 1.44 H new ATOM 0 HB2 CYS A 63 10.157 19.569 -7.921 1.00 2.11 H new ATOM 0 HB3 CYS A 63 11.839 19.538 -7.430 1.00 2.11 H new ATOM 0 HG CYS A 63 10.524 21.531 -5.927 1.00 12.53 H new ATOM 961 N GLY A 64 13.547 19.976 -10.762 1.00 54.22 N ATOM 962 CA GLY A 64 14.981 19.904 -10.973 1.00 14.43 C ATOM 963 C GLY A 64 15.596 18.664 -10.357 1.00 34.55 C ATOM 964 O GLY A 64 16.796 18.626 -10.086 1.00 51.20 O ATOM 0 H GLY A 64 12.984 19.875 -11.607 1.00 54.22 H new ATOM 0 HA2 GLY A 64 15.189 19.916 -12.043 1.00 14.43 H new ATOM 0 HA3 GLY A 64 15.453 20.790 -10.547 1.00 14.43 H new ATOM 968 N SER A 65 14.771 17.645 -10.132 1.00 42.24 N ATOM 969 CA SER A 65 15.240 16.399 -9.539 1.00 21.43 C ATOM 970 C SER A 65 14.840 15.203 -10.398 1.00 41.35 C ATOM 971 O SER A 65 13.737 14.673 -10.269 1.00 32.25 O ATOM 972 CB SER A 65 14.675 16.237 -8.126 1.00 54.24 C ATOM 973 OG SER A 65 14.981 17.364 -7.323 1.00 32.53 O ATOM 0 H SER A 65 13.775 17.659 -10.352 1.00 42.24 H new ATOM 0 HA SER A 65 16.328 16.439 -9.486 1.00 21.43 H new ATOM 0 HB2 SER A 65 13.594 16.105 -8.176 1.00 54.24 H new ATOM 0 HB3 SER A 65 15.086 15.337 -7.668 1.00 54.24 H new ATOM 0 HG SER A 65 14.162 17.873 -7.147 1.00 32.53 H new ATOM 979 N ARG A 66 15.745 14.785 -11.277 1.00 44.10 N ATOM 980 CA ARG A 66 15.488 13.654 -12.160 1.00 32.34 C ATOM 981 C ARG A 66 15.893 12.342 -11.494 1.00 62.32 C ATOM 982 O ARG A 66 16.573 11.511 -12.098 1.00 12.34 O ATOM 983 CB ARG A 66 16.245 13.825 -13.478 1.00 24.24 C ATOM 984 CG ARG A 66 17.756 13.843 -13.314 1.00 4.24 C ATOM 985 CD ARG A 66 18.371 15.082 -13.947 1.00 75.43 C ATOM 986 NE ARG A 66 19.627 14.782 -14.629 1.00 1.05 N ATOM 987 CZ ARG A 66 20.270 15.651 -15.400 1.00 4.53 C ATOM 988 NH1 ARG A 66 19.778 16.868 -15.586 1.00 41.31 N ATOM 989 NH2 ARG A 66 21.409 15.304 -15.986 1.00 2.52 N ATOM 0 H ARG A 66 16.663 15.213 -11.397 1.00 44.10 H new ATOM 0 HA ARG A 66 14.418 13.622 -12.366 1.00 32.34 H new ATOM 0 HB2 ARG A 66 15.971 13.014 -14.153 1.00 24.24 H new ATOM 0 HB3 ARG A 66 15.928 14.754 -13.951 1.00 24.24 H new ATOM 0 HG2 ARG A 66 18.008 13.811 -12.254 1.00 4.24 H new ATOM 0 HG3 ARG A 66 18.183 12.950 -13.770 1.00 4.24 H new ATOM 0 HD2 ARG A 66 17.666 15.513 -14.658 1.00 75.43 H new ATOM 0 HD3 ARG A 66 18.547 15.833 -13.177 1.00 75.43 H new ATOM 0 HE ARG A 66 20.033 13.854 -14.506 1.00 1.05 H new ATOM 0 HH11 ARG A 66 18.903 17.139 -15.136 1.00 41.31 H new ATOM 0 HH12 ARG A 66 20.274 17.534 -16.179 1.00 41.31 H new ATOM 0 HH21 ARG A 66 21.791 14.369 -15.844 1.00 2.52 H new ATOM 0 HH22 ARG A 66 21.902 15.972 -16.578 1.00 2.52 H new ATOM 1003 N VAL A 67 15.472 12.162 -10.246 1.00 52.13 N ATOM 1004 CA VAL A 67 15.790 10.951 -9.499 1.00 1.53 C ATOM 1005 C VAL A 67 15.334 9.706 -10.250 1.00 32.21 C ATOM 1006 O VAL A 67 14.738 9.799 -11.323 1.00 44.14 O ATOM 1007 CB VAL A 67 15.136 10.965 -8.104 1.00 64.11 C ATOM 1008 CG1 VAL A 67 15.853 11.945 -7.188 1.00 31.02 C ATOM 1009 CG2 VAL A 67 13.658 11.307 -8.212 1.00 60.44 C ATOM 0 H VAL A 67 14.910 12.840 -9.731 1.00 52.13 H new ATOM 0 HA VAL A 67 16.874 10.925 -9.384 1.00 1.53 H new ATOM 0 HB VAL A 67 15.224 9.969 -7.671 1.00 64.11 H new ATOM 0 HG11 VAL A 67 15.377 11.941 -6.207 1.00 31.02 H new ATOM 0 HG12 VAL A 67 16.897 11.650 -7.086 1.00 31.02 H new ATOM 0 HG13 VAL A 67 15.799 12.947 -7.614 1.00 31.02 H new ATOM 0 HG21 VAL A 67 13.212 11.312 -7.217 1.00 60.44 H new ATOM 0 HG22 VAL A 67 13.545 12.292 -8.666 1.00 60.44 H new ATOM 0 HG23 VAL A 67 13.157 10.563 -8.830 1.00 60.44 H new ATOM 1019 N ARG A 68 15.617 8.540 -9.678 1.00 72.11 N ATOM 1020 CA ARG A 68 15.236 7.275 -10.294 1.00 60.41 C ATOM 1021 C ARG A 68 14.105 6.609 -9.515 1.00 3.21 C ATOM 1022 O ARG A 68 14.322 6.053 -8.438 1.00 44.32 O ATOM 1023 CB ARG A 68 16.441 6.335 -10.367 1.00 3.23 C ATOM 1024 CG ARG A 68 16.239 5.157 -11.305 1.00 64.13 C ATOM 1025 CD ARG A 68 16.614 5.513 -12.735 1.00 40.14 C ATOM 1026 NE ARG A 68 15.510 5.285 -13.663 1.00 53.35 N ATOM 1027 CZ ARG A 68 15.535 5.652 -14.940 1.00 61.51 C ATOM 1028 NH1 ARG A 68 16.603 6.259 -15.438 1.00 2.54 N ATOM 1029 NH2 ARG A 68 14.491 5.409 -15.722 1.00 52.30 N ATOM 0 H ARG A 68 16.109 8.445 -8.789 1.00 72.11 H new ATOM 0 HA ARG A 68 14.885 7.484 -11.304 1.00 60.41 H new ATOM 0 HB2 ARG A 68 17.314 6.902 -10.692 1.00 3.23 H new ATOM 0 HB3 ARG A 68 16.659 5.959 -9.367 1.00 3.23 H new ATOM 0 HG2 ARG A 68 16.843 4.315 -10.968 1.00 64.13 H new ATOM 0 HG3 ARG A 68 15.198 4.837 -11.270 1.00 64.13 H new ATOM 0 HD2 ARG A 68 16.916 6.559 -12.781 1.00 40.14 H new ATOM 0 HD3 ARG A 68 17.475 4.919 -13.043 1.00 40.14 H new ATOM 0 HE ARG A 68 14.674 4.818 -13.312 1.00 53.35 H new ATOM 0 HH11 ARG A 68 17.408 6.446 -14.841 1.00 2.54 H new ATOM 0 HH12 ARG A 68 16.619 6.540 -16.419 1.00 2.54 H new ATOM 0 HH21 ARG A 68 13.668 4.940 -15.343 1.00 52.30 H new ATOM 0 HH22 ARG A 68 14.511 5.691 -16.702 1.00 52.30 H new ATOM 1043 N VAL A 69 12.897 6.670 -10.067 1.00 4.55 N ATOM 1044 CA VAL A 69 11.732 6.074 -9.424 1.00 65.32 C ATOM 1045 C VAL A 69 11.230 4.868 -10.209 1.00 74.53 C ATOM 1046 O VAL A 69 11.261 4.859 -11.439 1.00 62.24 O ATOM 1047 CB VAL A 69 10.587 7.093 -9.281 1.00 52.20 C ATOM 1048 CG1 VAL A 69 9.415 6.478 -8.530 1.00 43.35 C ATOM 1049 CG2 VAL A 69 11.078 8.351 -8.581 1.00 10.21 C ATOM 0 H VAL A 69 12.700 7.126 -10.958 1.00 4.55 H new ATOM 0 HA VAL A 69 12.047 5.753 -8.431 1.00 65.32 H new ATOM 0 HB VAL A 69 10.244 7.370 -10.278 1.00 52.20 H new ATOM 0 HG11 VAL A 69 8.615 7.213 -8.439 1.00 43.35 H new ATOM 0 HG12 VAL A 69 9.048 5.609 -9.076 1.00 43.35 H new ATOM 0 HG13 VAL A 69 9.741 6.171 -7.536 1.00 43.35 H new ATOM 0 HG21 VAL A 69 10.256 9.060 -8.488 1.00 10.21 H new ATOM 0 HG22 VAL A 69 11.449 8.094 -7.589 1.00 10.21 H new ATOM 0 HG23 VAL A 69 11.882 8.801 -9.163 1.00 10.21 H new ATOM 1059 N GLU A 70 10.766 3.851 -9.489 1.00 55.11 N ATOM 1060 CA GLU A 70 10.256 2.639 -10.120 1.00 31.15 C ATOM 1061 C GLU A 70 9.510 1.772 -9.109 1.00 1.42 C ATOM 1062 O GLU A 70 9.612 1.982 -7.899 1.00 70.03 O ATOM 1063 CB GLU A 70 11.403 1.841 -10.744 1.00 12.23 C ATOM 1064 CG GLU A 70 11.164 1.468 -12.197 1.00 61.30 C ATOM 1065 CD GLU A 70 11.893 0.201 -12.601 1.00 72.20 C ATOM 1066 OE1 GLU A 70 13.100 0.283 -12.911 1.00 74.10 O ATOM 1067 OE2 GLU A 70 11.255 -0.873 -12.607 1.00 25.32 O ATOM 0 H GLU A 70 10.733 3.842 -8.470 1.00 55.11 H new ATOM 0 HA GLU A 70 9.559 2.934 -10.904 1.00 31.15 H new ATOM 0 HB2 GLU A 70 12.321 2.425 -10.674 1.00 12.23 H new ATOM 0 HB3 GLU A 70 11.559 0.931 -10.165 1.00 12.23 H new ATOM 0 HG2 GLU A 70 10.095 1.336 -12.363 1.00 61.30 H new ATOM 0 HG3 GLU A 70 11.488 2.289 -12.837 1.00 61.30 H new ATOM 1074 N LEU A 71 8.760 0.799 -9.613 1.00 21.20 N ATOM 1075 CA LEU A 71 7.996 -0.100 -8.755 1.00 72.44 C ATOM 1076 C LEU A 71 8.617 -1.493 -8.736 1.00 20.40 C ATOM 1077 O LEU A 71 8.562 -2.223 -9.726 1.00 54.51 O ATOM 1078 CB LEU A 71 6.545 -0.183 -9.234 1.00 22.11 C ATOM 1079 CG LEU A 71 5.779 1.139 -9.284 1.00 35.12 C ATOM 1080 CD1 LEU A 71 4.471 0.969 -10.042 1.00 11.33 C ATOM 1081 CD2 LEU A 71 5.518 1.658 -7.877 1.00 64.02 C ATOM 0 H LEU A 71 8.664 0.612 -10.611 1.00 21.20 H new ATOM 0 HA LEU A 71 8.016 0.301 -7.741 1.00 72.44 H new ATOM 0 HB2 LEU A 71 6.537 -0.623 -10.231 1.00 22.11 H new ATOM 0 HB3 LEU A 71 6.006 -0.868 -8.580 1.00 22.11 H new ATOM 0 HG LEU A 71 6.390 1.871 -9.812 1.00 35.12 H new ATOM 0 HD11 LEU A 71 3.939 1.920 -10.068 1.00 11.33 H new ATOM 0 HD12 LEU A 71 4.681 0.643 -11.061 1.00 11.33 H new ATOM 0 HD13 LEU A 71 3.855 0.222 -9.542 1.00 11.33 H new ATOM 0 HD21 LEU A 71 4.972 2.600 -7.932 1.00 64.02 H new ATOM 0 HD22 LEU A 71 4.928 0.928 -7.324 1.00 64.02 H new ATOM 0 HD23 LEU A 71 6.468 1.819 -7.366 1.00 64.02 H new ATOM 1093 N SER A 72 9.207 -1.857 -7.602 1.00 35.05 N ATOM 1094 CA SER A 72 9.840 -3.162 -7.453 1.00 73.23 C ATOM 1095 C SER A 72 8.791 -4.262 -7.314 1.00 4.14 C ATOM 1096 O SER A 72 9.043 -5.422 -7.642 1.00 54.11 O ATOM 1097 CB SER A 72 10.766 -3.168 -6.236 1.00 44.20 C ATOM 1098 OG SER A 72 11.139 -4.489 -5.885 1.00 31.23 O ATOM 0 H SER A 72 9.260 -1.266 -6.772 1.00 35.05 H new ATOM 0 HA SER A 72 10.429 -3.357 -8.349 1.00 73.23 H new ATOM 0 HB2 SER A 72 11.658 -2.580 -6.451 1.00 44.20 H new ATOM 0 HB3 SER A 72 10.266 -2.692 -5.393 1.00 44.20 H new ATOM 0 HG SER A 72 11.732 -4.465 -5.105 1.00 31.23 H new